CID 43548153

Tert-butyl n-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1N)OCCO2
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)15-9-7-11-10(6-8(9)14)17-4-5-18-11/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKey
DCOQGLWEJXHIFS-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.4
[M+Na]+ 289.11587 167.2
[M-H]- 265.11937 166.5
[M+NH4]+ 284.16047 175.7
[M+K]+ 305.08981 168.1
[M+H-H2O]+ 249.12391 154.7
[M+HCOO]- 311.12485 179.6
[M+CH3COO]- 325.14050 200.6
[M+Na-2H]- 287.10132 168.5
[M]+ 266.12610 162.0
[M]- 266.12720 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.